CID 75481736

N-[(3,5-dichlorophenyl)methyl]hydroxylamine

Structural Information

Molecular Formula

C₇H₇Cl₂NO

SMILES

C1=C(C=C(C=C1Cl)Cl)CNO

InChI

InChI=1S/C7H7Cl2NO/c8-6-1-5(4-10-11)2-7(9)3-6/h1-3,10-11H,4H2

InChIKey

NRKHQMHSQJUFKQ-UHFFFAOYSA-N

Compound name

N-[(3,5-dichlorophenyl)methyl]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 190.99046 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	191.997736	134.2
[M+Na]+	213.979678	144.2
[M-H]-	189.983184	136.3
[M+NH4]+	209.024283	154.5
[M+K]+	229.953618	138.8
[M+H-H2O]+	173.987720	130.9
[M+HCOO]-	235.988661	149.5
[M+CH3COO]-	250.004311	180.4
[M+Na-2H]-	211.965126	140.6
[M]+	190.98991142	135.9
[M]-	190.99100858	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.